template_repo_python

TemplateRepoPython provides a single interface to use many reaction optimization algorithms.

• optimization algorithms have different user interfaces, from web portals to software-only interfaces
• when targeting reaction optimization, the algorithms are expected to be used in the lab, likely by someone without much programming experience
• trying different algorithms means potentially learning multiple installation methods, user interfaces, and data formats
• TemplateRepoPython aims to provide a single software interface that can provide access to many different reaction optimization algorithms
• this allows users to program to a single software interface, simplifying the development of user-friendly tools and interfaces to lower the barrier of entry into reaction optimization

Installation and Usage

TemplateRepoPython is a Python-based library available for installation from PyPI using pip:

pip install template_repo_python

API Usage

For API usage, see :ref:`api_usage`.

Making Changes & Contributing

This project uses pre-commit, please make sure to install it before making any changes or you will not be able to make commits!!!

pip install pre-commit
cd template_repo_python
pre-commit install

It is a good idea to update the hooks to the latest version:

pre-commit autoupdate

Don't forget to tell your contributors to also install and use pre-commit.

Note

This project has been set up using PyScaffold 4.3.1. For details and usage information on PyScaffold see https://pyscaffold.org/.